1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine

C16H25NO5S2 — CID 90585261

IUPAC1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C
InChIInChI=1S/C16H25NO5S2/c1-4-11-22-16-6-5-15(12-13(16)2)24(20,21)17-9-7-14(8-10-17)23(3,18)19/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyWIHOHEJISJXPPH-UHFFFAOYSA-N
MW375.51 g/mol
LogP1.98
Rot. Bonds6

About 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine

1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine (PubChem CID 90585261) has the molecular formula C16H25NO5S2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine.

Molecular Properties

Compound Name1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
PubChem CID90585261
Molecular FormulaC16H25NO5S2
Molecular Weight375.51 g/mol
Exact Mass375.12
IUPAC Name1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C
InChIInChI=1S/C16H25NO5S2/c1-4-11-22-16-6-5-15(12-13(16)2)24(20,21)17-9-7-14(8-10-17)23(3,18)19/h5-6,12,14H,4,7-11H2,1-3H3
InChIKeyWIHOHEJISJXPPH-UHFFFAOYSA-N
XLogP1.98
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
CID 90590728
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592455
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669821
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754
ethyl 4-(3-methyl-4-propoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 6472617
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
1-(4-heptoxy-3-methylphenyl)sulfonylpiperidine
CID 43845535
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 91669896
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 35203146
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 91670225

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
The IUPAC name of 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine (CID 90585261) is 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine.
What is the SMILES notation for 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
The canonical SMILES for 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine is CCCOc1ccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)cc1C.
What is the InChIKey of 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
The InChIKey is WIHOHEJISJXPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5S2/c1-4-11-22-16-6-5-15(12-13(16)2)24(20,21)17-9-7-14(8-10-17)23(3,18)19/h5-6,12,14H,4,7-11H2,1-3H3.
What are the key properties of 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine?
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine has a molecular weight of 375.51 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine is sourced from PubChem (CID 90585261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).